Molecule

ID:76758

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄ClNO
Molecular Mass
281.82086
Exact Mass
281.15464207
Charge
0
InChI
InChI=1S/C16H23NO.ClH/c18-16(15-9-3-1-4-10-15)11-5-8-14-17-12-6-2-7-13-17;/h1,3-4,9-10H,2,5-8,11-14H2;1H
InChIKey
UAPANCXPXOYQAX-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)CCCCN1CCCCC1.Cl
Isomeric Smiles
N1(CCCCC(=O)c2ccccc2)CCCCC1.Cl
Calculated Properties
JChem
Acid pKa
16.977093
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.04884144
LogD (pH = 7.4)
1.6484327
Log P
3.2430005
Molar Refractivity
76.0872
Polarizability
29.624056
Polar Surface Area
20.31
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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